5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide

C21H24N4O2 — CID 24759286

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(CCO)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C21H24N4O2/c1-21(2)8-5-15(6-9-21)17-11-14(7-10-26)3-4-18(17)25-20(27)19-23-13-16(12-22)24-19/h3-5,11,13,26H,6-10H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJMFAMIHAUCISAL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.66
Rot. Bonds5

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759286) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24759286
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(CCO)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C21H24N4O2/c1-21(2)8-5-15(6-9-21)17-11-14(7-10-26)3-4-18(17)25-20(27)19-23-13-16(12-22)24-19/h3-5,11,13,26H,6-10H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJMFAMIHAUCISAL-UHFFFAOYSA-N
XLogP3.66
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide (CID 24759286) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(CCO)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is JMFAMIHAUCISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2)8-5-15(6-9-21)17-11-14(7-10-26)3-4-18(17)25-20(27)19-23-13-16(12-22)24-19/h3-5,11,13,26H,6-10H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).